1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea

C21H27FN4O — CID 125435876

IUPAC1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESC[C@H](CN1CCCC1)NC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1
InChIInChI=1S/C21H27FN4O/c1-17(14-25-12-2-3-13-25)24-21(27)26(16-19-8-10-23-11-9-19)15-18-4-6-20(22)7-5-18/h4-11,17H,2-3,12-16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyPSTRFHFCPVIROH-QGZVFWFLSA-N
MW370.47 g/mol
LogP3.42
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea

1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea (PubChem CID 125435876) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea
PubChem CID125435876
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESC[C@H](CN1CCCC1)NC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1
InChIInChI=1S/C21H27FN4O/c1-17(14-25-12-2-3-13-25)24-21(27)26(16-19-8-10-23-11-9-19)15-18-4-6-20(22)7-5-18/h4-11,17H,2-3,12-16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyPSTRFHFCPVIROH-QGZVFWFLSA-N
XLogP3.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457
3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea
CID 125446741
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
N'-[(2S)-1-piperidin-1-ylpropan-2-yl]pyridine-4-carbohydrazide
CID 95561922
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
3-(azocan-1-yl)-N-(1-pyridin-4-ylpropan-2-yl)propanamide
CID 46998770
4-[2-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl]-N-phenylpiperazine-1-carboxamide
CID 42709554
2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113163745
2-methyl-3-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 55007380
4-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240259
3-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 115646380
1-[(4-fluorophenyl)methyl]-1-[2-(4-nonanoylpiperazin-1-yl)ethyl]-3-propan-2-ylurea
CID 42709552

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea (CID 125435876) is 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea is C[C@H](CN1CCCC1)NC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea?
The InChIKey is PSTRFHFCPVIROH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-17(14-25-12-2-3-13-25)24-21(27)26(16-19-8-10-23-11-9-19)15-18-4-6-20(22)7-5-18/h4-11,17H,2-3,12-16H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea?
1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea has a molecular weight of 370.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)-3-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 125435876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).